HRID94924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3301

Ethylenediamine

C2H8N2

HCID6344

Dichloromethane

CH2Cl2

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NC)nc32)C(O)C1O

HCID178464990

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCN)nc32)C(O)C1O

HCID178464989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6a3090b4fe94666b7aac19557ab0876
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:41]([CH2:42][NH2:43])[NH2:44].[Cl:45][CH2:46][Cl:47].[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:23]4[O:24][CH:25]([C:30](=[O:31])[NH:32][CH2:33][CH3:34])[CH:26]([OH:29])[CH:27]4[OH:28])[c:15]3[n:16][c:17]([C:19](=[O:20])[NH:21][CH3:22])[n:18]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:23]4[O:24][CH:25]([C:30](=[O:31])[NH:32][CH2:33][CH3:34])[CH:26]([OH:29])[CH:27]4[OH:28])[c:15]3[n:16][c:17]([C:19](=[O:20])[NH:21][CH2:22][CH2:42][NH2:43])[n:18]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1